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Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'hirasawa' and Initial = 'y'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50199522
PNG
((+)-huperzine A | (+-)-HA | (-)-1-Amino-13-ethylid...)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(C)=C2 |r,c:18,THB:1:2:14.15.17:5.11.4|
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase

Bioorg Med Chem 15: 7803-8 (2007)


Article DOI: 10.1016/j.bmc.2007.08.043
BindingDB Entry DOI: 10.7270/Q2F190JK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50308527
PNG
(10-methoxy-N(1)-methylburnamine-17-O-veratrate | C...)
Show SMILES COC(=O)[C@]1(COC(=O)c2ccc(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r|
Show InChI InChI=1S/C32H36N2O8/c1-7-18-16-34-26-14-21(18)30(29(36)40-6,17-41-28(35)19-8-11-24(38-4)25(12-19)39-5)31-15-27(34)42-32(26,31)33(2)23-10-9-20(37-3)13-22(23)31/h7-13,21,26-27H,14-17H2,1-6H3/b18-7-/t21-,26-,27-,30-,31-,32-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50308533
PNG
(CHEMBL589254 | Methyl (14E)-14-ethylidene-6-methox...)
Show SMILES COC(=O)[C@]1(COC(=O)\C=C\c2ccccc2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r|
Show InChI InChI=1S/C32H34N2O6/c1-5-21-18-34-26-16-23(21)30(29(36)38-4,19-39-28(35)14-11-20-9-7-6-8-10-20)31-17-27(34)40-32(26,31)33(2)25-13-12-22(37-3)15-24(25)31/h5-15,23,26-27H,16-19H2,1-4H3/b14-11+,21-5-/t23-,26-,27-,30-,31-,32-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50308529
PNG
(CHEMBL589220 | Methyl (14E)-19-[(benzoyloxy)methyl...)
Show SMILES COC(=O)[C@]1(COC(=O)c2ccccc2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r|
Show InChI InChI=1S/C30H32N2O6/c1-5-18-16-32-24-14-21(18)28(27(34)36-4,17-37-26(33)19-9-7-6-8-10-19)29-15-25(32)38-30(24,29)31(2)23-12-11-20(35-3)13-22(23)29/h5-13,21,24-25H,14-17H2,1-4H3/b18-5-/t21-,24-,25-,28-,29-,30-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50483304
PNG
(11-Epi-Tubulysin D)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N[C@H](C[C@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C37H55N5O7S/c1-8-23(4)32(41-34(45)30-16-12-13-17-42(30)7)35(46)39-28(22(2)3)20-31(49-25(6)43)36-40-29(21-50-36)33(44)38-27(18-24(5)37(47)48)19-26-14-10-9-11-15-26/h9-11,14-15,21-24,27-28,30-32H,8,12-13,16-20H2,1-7H3,(H,38,44)(H,39,46)(H,41,45)(H,47,48)/t23-,24-,27+,28+,30+,31-,32-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co Ltd

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by microtubule assembly assay

Bioorg Med Chem Lett 21: 431-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.118
BindingDB Entry DOI: 10.7270/Q21J9DMW
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|
Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co Ltd

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by microtubule assembly assay

Bioorg Med Chem Lett 21: 431-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.118
BindingDB Entry DOI: 10.7270/Q21J9DMW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)		BDBM50483306
PNG
(CHEBI:80036 | Tubulysin D)
Show SMILES [H][C@](NC(=O)[C@@]1([H])CCCCN1C)([C@@H](C)CC)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C43H65N5O9S/c1-10-28(6)38(46-40(52)34-18-14-15-19-47(34)9)42(53)48(25-56-37(50)20-26(2)3)35(27(4)5)23-36(57-30(8)49)41-45-33(24-58-41)39(51)44-32(21-29(7)43(54)55)22-31-16-12-11-13-17-31/h11-13,16-17,24,26-29,32,34-36,38H,10,14-15,18-23,25H2,1-9H3,(H,44,51)(H,46,52)(H,54,55)/t28-,29-,32+,34+,35+,36+,38-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co Ltd

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by microtubule assembly assay

Bioorg Med Chem Lett 21: 431-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.118
BindingDB Entry DOI: 10.7270/Q21J9DMW
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50483305
PNG
(13-Epi-Tubulysin D)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N[C@@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C37H55N5O7S/c1-8-23(4)32(41-34(45)30-16-12-13-17-42(30)7)35(46)39-28(22(2)3)20-31(49-25(6)43)36-40-29(21-50-36)33(44)38-27(18-24(5)37(47)48)19-26-14-10-9-11-15-26/h9-11,14-15,21-24,27-28,30-32H,8,12-13,16-20H2,1-7H3,(H,38,44)(H,39,46)(H,41,45)(H,47,48)/t23-,24-,27+,28-,30+,31+,32-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co Ltd

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by microtubule assembly assay

Bioorg Med Chem Lett 21: 431-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.118
BindingDB Entry DOI: 10.7270/Q21J9DMW
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50308528
PNG
(Alstiphyllanine D | CHEMBL540945)
Show SMILES COC(=O)[C@]1(COC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r|
Show InChI InChI=1S/C33H38N2O9/c1-8-18-16-35-26-14-21(18)31(30(37)42-7,17-43-29(36)19-11-24(39-4)28(41-6)25(12-19)40-5)32-15-27(35)44-33(26,32)34(2)23-10-9-20(38-3)13-22(23)32/h8-13,21,26-27H,14-17H2,1-7H3/b18-8-/t21-,26-,27-,31-,32-,33-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50308527
PNG
(10-methoxy-N(1)-methylburnamine-17-O-veratrate | C...)
Show SMILES COC(=O)[C@]1(COC(=O)c2ccc(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r|
Show InChI InChI=1S/C32H36N2O8/c1-7-18-16-34-26-14-21(18)30(29(36)40-6,17-41-28(35)19-8-11-24(38-4)25(12-19)39-5)31-15-27(34)42-32(26,31)33(2)23-10-9-20(37-3)13-22(23)31/h7-13,21,26-27H,14-17H2,1-6H3/b18-7-/t21-,26-,27-,30-,31-,32-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50308532
PNG
((14E)-14-ethylidene-6-methoxy-19-(methoxycarbonyl)...)
Show SMILES COC(=O)[C@]1(COC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C[C@H]3[C@]45O[C@@H](C[C@]14c1cc(OC)ccc1N5C)[N+]3([O-])C\C2=C\C |r|
Show InChI InChI=1S/C33H38N2O10/c1-8-18-16-35(38)26-14-21(18)31(30(37)43-7,17-44-29(36)19-11-24(40-4)28(42-6)25(12-19)41-5)32-15-27(35)45-33(26,32)34(2)23-10-9-20(39-3)13-22(23)32/h8-13,21,26-27H,14-17H2,1-7H3/b18-8-/t21-,26-,27-,31-,32-,33-,35?/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50201171
PNG
((1S,9R)-1-amino-13-[2-hydroxy-eth-(E)-ylidene]-11-...)
Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@](N)(C1)\C2=C\CO |t:1,THB:16:15:11.5.4:2.14.1|
Show InChI InChI=1S/C15H18N2O2/c1-9-6-10-7-13-12(2-3-14(19)17-13)15(16,8-9)11(10)4-5-18/h2-4,6,10,18H,5,7-8,16H2,1H3,(H,17,19)/b11-4+/t10-,15-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte acetylcholinesterase

Bioorg Med Chem 15: 1703-7 (2007)


Article DOI: 10.1016/j.bmc.2006.12.005
BindingDB Entry DOI: 10.7270/Q2X929XP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50308528
PNG
(Alstiphyllanine D | CHEMBL540945)
Show SMILES COC(=O)[C@]1(COC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r|
Show InChI InChI=1S/C33H38N2O9/c1-8-18-16-35-26-14-21(18)31(30(37)42-7,17-43-29(36)19-11-24(39-4)28(41-6)25(12-19)40-5)32-15-27(35)44-33(26,32)34(2)23-10-9-20(38-3)13-22(23)32/h8-13,21,26-27H,14-17H2,1-7H3/b18-8-/t21-,26-,27-,31-,32-,33-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50308531
PNG
((14E)-19-{[(3,4-dimethoxyphenyl)carbonyloxy]methyl...)
Show SMILES COC(=O)[C@]1(COC(=O)c2ccc(OC)c(OC)c2)[C@H]2C[C@H]3[C@]45O[C@@H](C[C@]14c1cc(OC)ccc1N5C)[N+]3([O-])C\C2=C\C |r|
Show InChI InChI=1S/C32H36N2O9/c1-7-18-16-34(37)26-14-21(18)30(29(36)41-6,17-42-28(35)19-8-11-24(39-4)25(12-19)40-5)31-15-27(34)43-32(26,31)33(2)23-10-9-20(38-3)13-22(23)31/h7-13,21,26-27H,14-17H2,1-6H3/b18-7-/t21-,26-,27-,30-,31-,32-,34?/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50308533
PNG
(CHEMBL589254 | Methyl (14E)-14-ethylidene-6-methox...)
Show SMILES COC(=O)[C@]1(COC(=O)\C=C\c2ccccc2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r|
Show InChI InChI=1S/C32H34N2O6/c1-5-21-18-34-26-16-23(21)30(29(36)38-4,19-39-28(35)14-11-20-9-7-6-8-10-20)31-17-27(34)40-32(26,31)33(2)25-13-12-22(37-3)15-24(25)31/h5-15,23,26-27H,16-19H2,1-4H3/b14-11+,21-5-/t23-,26-,27-,30-,31-,32-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50483307
PNG
(CHEMBL1643767)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N[C@@H](C[C@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C37H55N5O7S/c1-8-23(4)32(41-34(45)30-16-12-13-17-42(30)7)35(46)39-28(22(2)3)20-31(49-25(6)43)36-40-29(21-50-36)33(44)38-27(18-24(5)37(47)48)19-26-14-10-9-11-15-26/h9-11,14-15,21-24,27-28,30-32H,8,12-13,16-20H2,1-7H3,(H,38,44)(H,39,46)(H,41,45)(H,47,48)/t23-,24-,27+,28-,30+,31-,32-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co Ltd

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by microtubule assembly assay

Bioorg Med Chem Lett 21: 431-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.118
BindingDB Entry DOI: 10.7270/Q21J9DMW
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50308530
PNG
(CHEMBL602442 | Methyl (14E)-14-ethylidene-6-hydrox...)
Show SMILES COC(=O)[C@]1(COC(=O)c2cc(O)c(O)c(O)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(O)ccc4N(C)[C@]31O2 |r|
Show InChI InChI=1S/C29H30N2O9/c1-4-14-12-31-22-10-17(14)27(26(37)38-3,13-39-25(36)15-7-20(33)24(35)21(34)8-15)28-11-23(31)40-29(22,28)30(2)19-6-5-16(32)9-18(19)28/h4-9,17,22-23,32-35H,10-13H2,1-3H3/b14-4-/t17-,22-,23-,27-,28-,29-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50201170
PNG
(CHEMBL241838 | carinatumins B (2))
Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@]3(C1)NCC[C@@H](O)[C@H]23 |t:1|
Show InChI InChI=1S/C16H20N2O2/c1-9-6-10-7-12-11(2-3-14(20)18-12)16(8-9)15(10)13(19)4-5-17-16/h2-3,6,10,13,15,17,19H,4-5,7-8H2,1H3,(H,18,20)/t10-,13+,15-,16-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte acetylcholinesterase

Bioorg Med Chem 15: 1703-7 (2007)


Article DOI: 10.1016/j.bmc.2006.12.005
BindingDB Entry DOI: 10.7270/Q2X929XP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50308532
PNG
((14E)-14-ethylidene-6-methoxy-19-(methoxycarbonyl)...)
Show SMILES COC(=O)[C@]1(COC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C[C@H]3[C@]45O[C@@H](C[C@]14c1cc(OC)ccc1N5C)[N+]3([O-])C\C2=C\C |r|
Show InChI InChI=1S/C33H38N2O10/c1-8-18-16-35(38)26-14-21(18)31(30(37)43-7,17-44-29(36)19-11-24(40-4)28(42-6)25(12-19)41-5)32-15-27(35)45-33(26,32)34(2)23-10-9-20(39-3)13-22(23)32/h8-13,21,26-27H,14-17H2,1-7H3/b18-8-/t21-,26-,27-,31-,32-,33-,35?/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50308535
PNG
(CHEMBL601712 | methyl (14E)-14-ethylidene-6-methox...)
Show SMILES CCC(=O)OC[C@]1([C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2)C(=O)OC |r|
Show InChI InChI=1S/C26H32N2O6/c1-6-15-13-28-20-11-17(15)24(23(30)32-5,14-33-22(29)7-2)25-12-21(28)34-26(20,25)27(3)19-9-8-16(31-4)10-18(19)25/h6,8-10,17,20-21H,7,11-14H2,1-5H3/b15-6-/t17-,20-,21-,24-,25-,26-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50308529
PNG
(CHEMBL589220 | Methyl (14E)-19-[(benzoyloxy)methyl...)
Show SMILES COC(=O)[C@]1(COC(=O)c2ccccc2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r|
Show InChI InChI=1S/C30H32N2O6/c1-5-18-16-32-24-14-21(18)28(27(34)36-4,17-37-26(33)19-9-7-6-8-10-19)29-15-25(32)38-30(24,29)31(2)23-12-11-20(35-3)13-22(23)29/h5-13,21,24-25H,14-17H2,1-4H3/b18-5-/t21-,24-,25-,28-,29-,30-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50316419
PNG
(CHEMBL1097908 | Gneyulin B)
Show SMILES Oc1ccc([C@@H]2Oc3cc(O)c(cc3[C@H]2c2cc(O)cc(O)c2)[C@@H]2Oc3cc(cc(O)c3[C@H]2c2cc(O)cc(O)c2)-c2cc3ccc(O)cc3o2)c(O)c1 |r|
Show InChI InChI=1S/C42H30O12/c43-22-3-4-28(31(49)14-22)41-38(20-5-24(45)12-25(46)6-20)30-16-29(32(50)17-36(30)53-41)42-39(21-7-26(47)13-27(48)8-21)40-33(51)9-19(11-37(40)54-42)34-10-18-1-2-23(44)15-35(18)52-34/h1-17,38-39,41-51H/t38-,39-,41+,42+/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of SGLT2 transfected in african green monkey COS1 cells assessed as alpha-D-[U-14C]glucopyranoside uptake after 30 mins by scintillation c...

J Nat Prod 73: 763-7 (2010)


Article DOI: 10.1021/np9007987
BindingDB Entry DOI: 10.7270/Q2BP02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50223709
PNG
(CHEMBL240094 | cryptadine B)
Show SMILES C[C@H]1C[C@@H]2N(C)CCCC2=C(C[C@H]2CCC[C@H](CC3=C4CCCN([C@H]4C[C@@H](C)C3)C(C)=O)N2)C1 |c:19,t:10|
Show InChI InChI=1S/C30H49N3O/c1-20-14-23(27-10-6-12-32(4)29(27)16-20)18-25-8-5-9-26(31-25)19-24-15-21(2)17-30-28(24)11-7-13-33(30)22(3)34/h20-21,25-26,29-31H,5-19H2,1-4H3/t20-,21+,25-,26-,29+,30+/m1/s1
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n/an/a 1.85E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase

Bioorg Med Chem 15: 7803-8 (2007)


Article DOI: 10.1016/j.bmc.2007.08.043
BindingDB Entry DOI: 10.7270/Q2F190JK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50271482
PNG
(CHEMBL455781 | lycoparin C)
Show SMILES N[C@@]12CC(CO)=C[C@@H](Cc3[nH]c(=O)ccc13)[C@H]2C=C |r,c:5,THB:4:3:16:8.9.15|
Show InChI InChI=1S/C15H18N2O2/c1-2-11-10-5-9(8-18)7-15(11,16)12-3-4-14(19)17-13(12)6-10/h2-5,10-11,18H,1,6-8,16H2,(H,17,19)/t10-,11+,15+/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase from bovine erythrocyte

Bioorg Med Chem 16: 6167-71 (2008)


Article DOI: 10.1016/j.bmc.2008.04.044
BindingDB Entry DOI: 10.7270/Q28S4PQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50316418
PNG
(CHEMBL1097907 | Gneyulin A)
Show SMILES Oc1ccc(\C=C\c2cc3O[C@H]([C@@H](c3c(O)c2)c2cc(O)cc(O)c2)c2cc3[C@H]([C@@H](Oc3cc2O)c2ccc(O)cc2O)c2cc(O)cc(O)c2)c(O)c1 |r|
Show InChI InChI=1S/C42H32O12/c43-23-4-3-20(32(49)15-23)2-1-19-7-35(52)40-37(8-19)54-42(39(40)22-11-27(47)14-28(48)12-22)30-17-31-36(18-34(30)51)53-41(29-6-5-24(44)16-33(29)50)38(31)21-9-25(45)13-26(46)10-21/h1-18,38-39,41-52H/b2-1+/t38-,39-,41+,42+/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of SGLT2 transfected in african green monkey COS1 cells assessed as alpha-D-[U-14C]glucopyranoside uptake after 30 mins by scintillation c...

J Nat Prod 73: 763-7 (2010)


Article DOI: 10.1021/np9007987
BindingDB Entry DOI: 10.7270/Q2BP02XJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50316418
PNG
(CHEMBL1097907 | Gneyulin A)
Show SMILES Oc1ccc(\C=C\c2cc3O[C@H]([C@@H](c3c(O)c2)c2cc(O)cc(O)c2)c2cc3[C@H]([C@@H](Oc3cc2O)c2ccc(O)cc2O)c2cc(O)cc(O)c2)c(O)c1 |r|
Show InChI InChI=1S/C42H32O12/c43-23-4-3-20(32(49)15-23)2-1-19-7-35(52)40-37(8-19)54-42(39(40)22-11-27(47)14-28(48)12-22)30-17-31-36(18-34(30)51)53-41(29-6-5-24(44)16-33(29)50)38(31)21-9-25(45)13-26(46)10-21/h1-18,38-39,41-52H/b2-1+/t38-,39-,41+,42+/m1/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of SGLT1 transfected in african green monkey COS1 cells assessed as alpha-D-[U-14C]glucopyranoside uptake after 30 mins by scintillation c...

J Nat Prod 73: 763-7 (2010)


Article DOI: 10.1021/np9007987
BindingDB Entry DOI: 10.7270/Q2BP02XJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50308526
PNG
(Burnamine-17-O-3',4',5'-trimethoxybenzoate | CHEMB...)
Show SMILES COC(=O)[C@]1(COC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C/C)[C@@H]2C[C@]11c4ccccc4N[C@]31O2 |r|
Show InChI InChI=1S/C31H34N2O8/c1-6-17-15-33-24-13-20(17)29(28(35)39-5,16-40-27(34)18-11-22(36-2)26(38-4)23(12-18)37-3)30-14-25(33)41-31(24,30)32-21-10-8-7-9-19(21)30/h6-12,20,24-25,32H,13-16H2,1-5H3/b17-6+/t20-,24-,25-,29-,30-,31-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50308531
PNG
((14E)-19-{[(3,4-dimethoxyphenyl)carbonyloxy]methyl...)
Show SMILES COC(=O)[C@]1(COC(=O)c2ccc(OC)c(OC)c2)[C@H]2C[C@H]3[C@]45O[C@@H](C[C@]14c1cc(OC)ccc1N5C)[N+]3([O-])C\C2=C\C |r|
Show InChI InChI=1S/C32H36N2O9/c1-7-18-16-34(37)26-14-21(18)30(29(36)41-6,17-42-28(35)19-8-11-24(39-4)25(12-19)40-5)31-15-27(34)43-32(26,31)33(2)23-10-9-20(38-3)13-22(23)31/h7-13,21,26-27H,14-17H2,1-6H3/b18-7-/t21-,26-,27-,30-,31-,32-,34?/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50316419
PNG
(CHEMBL1097908 | Gneyulin B)
Show SMILES Oc1ccc([C@@H]2Oc3cc(O)c(cc3[C@H]2c2cc(O)cc(O)c2)[C@@H]2Oc3cc(cc(O)c3[C@H]2c2cc(O)cc(O)c2)-c2cc3ccc(O)cc3o2)c(O)c1 |r|
Show InChI InChI=1S/C42H30O12/c43-22-3-4-28(31(49)14-22)41-38(20-5-24(45)12-25(46)6-20)30-16-29(32(50)17-36(30)53-41)42-39(21-7-26(47)13-27(48)8-21)40-33(51)9-19(11-37(40)54-42)34-10-18-1-2-23(44)15-35(18)52-34/h1-17,38-39,41-51H/t38-,39-,41+,42+/m1/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of SGLT1 transfected in african green monkey COS1 cells assessed as alpha-D-[U-14C]glucopyranoside uptake after 30 mins by scintillation c...

J Nat Prod 73: 763-7 (2010)


Article DOI: 10.1021/np9007987
BindingDB Entry DOI: 10.7270/Q2BP02XJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50308525
PNG
(Alstiphyllanine F | CHEMBL592521)
Show SMILES COC(=O)[C@]1(COC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N[C@]31O2 |r|
Show InChI InChI=1S/C32H36N2O9/c1-7-17-15-34-25-13-20(17)30(29(36)41-6,16-42-28(35)18-10-23(38-3)27(40-5)24(11-18)39-4)31-14-26(34)43-32(25,31)33-22-9-8-19(37-2)12-21(22)31/h7-12,20,25-26,33H,13-16H2,1-6H3/b17-7-/t20-,25-,26-,30-,31-,32-/m0/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50308524
PNG
(Alstiphyllanine E | CHEMBL592477)
Show SMILES COC(=O)[C@]1(COC(=O)c2ccc(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4ccccc4N[C@]31O2 |r|
Show InChI InChI=1S/C30H32N2O7/c1-5-17-15-32-24-13-20(17)28(27(34)37-4,16-38-26(33)18-10-11-22(35-2)23(12-18)36-3)29-14-25(32)39-30(24,29)31-21-9-7-6-8-19(21)29/h5-12,20,24-25,31H,13-16H2,1-4H3/b17-5-/t20-,24-,25-,28-,29-,30-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50308525
PNG
(Alstiphyllanine F | CHEMBL592521)
Show SMILES COC(=O)[C@]1(COC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N[C@]31O2 |r|
Show InChI InChI=1S/C32H36N2O9/c1-7-17-15-34-25-13-20(17)30(29(36)41-6,16-42-28(35)18-10-23(38-3)27(40-5)24(11-18)39-4)31-14-26(34)43-32(25,31)33-22-9-8-19(37-2)12-21(22)31/h7-12,20,25-26,33H,13-16H2,1-6H3/b17-7-/t20-,25-,26-,30-,31-,32-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50308524
PNG
(Alstiphyllanine E | CHEMBL592477)
Show SMILES COC(=O)[C@]1(COC(=O)c2ccc(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4ccccc4N[C@]31O2 |r|
Show InChI InChI=1S/C30H32N2O7/c1-5-17-15-32-24-13-20(17)28(27(34)37-4,16-38-26(33)18-10-11-22(35-2)23(12-18)36-3)29-14-25(32)39-30(24,29)31-21-9-7-6-8-19(21)29/h5-12,20,24-25,31H,13-16H2,1-4H3/b17-5-/t20-,24-,25-,28-,29-,30-/m0/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50308526
PNG
(Burnamine-17-O-3',4',5'-trimethoxybenzoate | CHEMB...)
Show SMILES COC(=O)[C@]1(COC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C/C)[C@@H]2C[C@]11c4ccccc4N[C@]31O2 |r|
Show InChI InChI=1S/C31H34N2O8/c1-6-17-15-33-24-13-20(17)29(28(35)39-5,16-40-27(34)18-11-22(36-2)26(38-4)23(12-18)37-3)30-14-25(33)41-31(24,30)32-21-10-8-7-9-19(21)30/h6-12,20,24-25,32H,13-16H2,1-5H3/b17-6+/t20-,24-,25-,29-,30-,31-/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50308530
PNG
(CHEMBL602442 | Methyl (14E)-14-ethylidene-6-hydrox...)
Show SMILES COC(=O)[C@]1(COC(=O)c2cc(O)c(O)c(O)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(O)ccc4N(C)[C@]31O2 |r|
Show InChI InChI=1S/C29H30N2O9/c1-4-14-12-31-22-10-17(14)27(26(37)38-3,13-39-25(36)15-7-20(33)24(35)21(34)8-15)28-11-23(31)40-29(22,28)30(2)19-6-5-16(32)9-18(19)28/h4-9,17,22-23,32-35H,10-13H2,1-3H3/b14-4-/t17-,22-,23-,27-,28-,29-/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50308534
PNG
(CHEMBL590530 | methyl (14E)-19-[(acetyloxy)methyl]...)
Show SMILES COC(=O)[C@]1(COC(C)=O)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r|
Show InChI InChI=1S/C25H30N2O6/c1-6-15-12-27-20-10-17(15)23(22(29)31-5,13-32-14(2)28)24-11-21(27)33-25(20,24)26(3)19-8-7-16(30-4)9-18(19)24/h6-9,17,20-21H,10-13H2,1-5H3/b15-6-/t17-,20-,21-,23-,24-,25-/m0/s1
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n/an/a 7.80E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50308535
PNG
(CHEMBL601712 | methyl (14E)-14-ethylidene-6-methox...)
Show SMILES CCC(=O)OC[C@]1([C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2)C(=O)OC |r|
Show InChI InChI=1S/C26H32N2O6/c1-6-15-13-28-20-11-17(15)24(23(30)32-5,14-33-22(29)7-2)25-12-21(28)34-26(20,25)27(3)19-9-8-16(31-4)10-18(19)25/h6,8-10,17,20-21H,7,11-14H2,1-5H3/b15-6-/t17-,20-,21-,24-,25-,26-/m0/s1
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n/an/a 9.70E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50321281
PNG
(Alpneumine C | CHEMBL1163798)
Show SMILES COC(=O)C1[C@@H]2C[C@@H]3[C@@]4(CC[N+]3([O-])C[C@@H]2C(C)=O)C1=Nc1ccccc41 |r,t:21|
Show InChI InChI=1S/C20H22N2O4/c1-11(23)13-10-22(25)8-7-20-14-5-3-4-6-15(14)21-18(20)17(19(24)26-2)12(13)9-16(20)22/h3-6,12-13,16-17H,7-10H2,1-2H3/t12?,13-,16-,17?,20+,22?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase

Bioorg Med Chem 18: 4415-21 (2010)


Article DOI: 10.1016/j.bmc.2010.04.086
BindingDB Entry DOI: 10.7270/Q2ZC831T
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50321282
PNG
(Alpneumine D | CHEMBL1163799)
Show SMILES COC(=O)C1[C@@H]2C[C@H]3N(CC[C@@]33C1=Nc1c3cccc1O)C[C@H]2C(C)=O |r,t:14|
Show InChI InChI=1S/C20H22N2O4/c1-10(23)12-9-22-7-6-20-13-4-3-5-14(24)17(13)21-18(20)16(19(25)26-2)11(12)8-15(20)22/h3-5,11-12,15-16,24H,6-9H2,1-2H3/t11?,12-,15+,16?,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase

Bioorg Med Chem 18: 4415-21 (2010)


Article DOI: 10.1016/j.bmc.2010.04.086
BindingDB Entry DOI: 10.7270/Q2ZC831T
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50321283
PNG
(Alpneumine E | CHEMBL1163800)
Show SMILES COC(=O)C1[C@@H]2C[C@H]3N(CC[C@@]33C1=Nc1ccccc31)C[C@H]2C(C)=O |r,t:14|
Show InChI InChI=1S/C20H22N2O3/c1-11(23)13-10-22-8-7-20-14-5-3-4-6-15(14)21-18(20)17(19(24)25-2)12(13)9-16(20)22/h3-6,12-13,16-17H,7-10H2,1-2H3/t12?,13-,16+,17?,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase

Bioorg Med Chem 18: 4415-21 (2010)


Article DOI: 10.1016/j.bmc.2010.04.086
BindingDB Entry DOI: 10.7270/Q2ZC831T
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50321284
PNG
(Alpneumine F | CHEMBL1165402)
Show SMILES COC(=O)[C@@]12CO[C@]3(O)[C@H]4CCN(CC[C@@H]13)[C@H]4c1c2[nH]c2ccccc12 |r,TLB:8:7:16:11.10,THB:4:15:16:11.10,6:7:16:11.10,14:15:5.6:18.17.9.16|
Show InChI InChI=1S/C20H22N2O4/c1-25-18(23)19-10-26-20(24)12-6-8-22(9-7-14(19)20)16(12)15-11-4-2-3-5-13(11)21-17(15)19/h2-5,12,14,16,21,24H,6-10H2,1H3/t12-,14-,16+,19-,20+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase

Bioorg Med Chem 18: 4415-21 (2010)


Article DOI: 10.1016/j.bmc.2010.04.086
BindingDB Entry DOI: 10.7270/Q2ZC831T
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50321285
PNG
(Alpneumine G | CHEMBL1164480)
Show SMILES CC[C@@]12CCC[N+]3([O-])CCc4c([C@H]13)n(c1ccccc41)[C@](O)(C2)C(=O)OC |r|
Show InChI InChI=1S/C21H26N2O4/c1-3-20-10-6-11-23(26)12-9-15-14-7-4-5-8-16(14)22(17(15)18(20)23)21(25,13-20)19(24)27-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+,23?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase

Bioorg Med Chem 18: 4415-21 (2010)


Article DOI: 10.1016/j.bmc.2010.04.086
BindingDB Entry DOI: 10.7270/Q2ZC831T
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50321280
PNG
(Alpneumine B | CHEMBL1164346)
Show SMILES COC(=O)C1[C@@H]2C[C@H]3N(CC[C@@]33C1=Nc1c3cccc1O)C[C@@H]2C(C)=O |r,t:14|
Show InChI InChI=1S/C20H22N2O4/c1-10(23)12-9-22-7-6-20-13-4-3-5-14(24)17(13)21-18(20)16(19(25)26-2)11(12)8-15(20)22/h3-5,11-12,15-16,24H,6-9H2,1-2H3/t11?,12-,15-,16?,20+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase

Bioorg Med Chem 18: 4415-21 (2010)


Article DOI: 10.1016/j.bmc.2010.04.086
BindingDB Entry DOI: 10.7270/Q2ZC831T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50308536
PNG
(CHEMBL590772 | methyl (14E)-19-[(benzyloxy)methyl]...)
Show SMILES COC(=O)[C@]1(COCc2ccccc2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r|
Show InChI InChI=1S/C30H34N2O5/c1-5-20-16-32-25-14-22(20)28(27(33)35-4,18-36-17-19-9-7-6-8-10-19)29-15-26(32)37-30(25,29)31(2)24-12-11-21(34-3)13-23(24)29/h5-13,22,25-26H,14-18H2,1-4H3/b20-5-/t22-,25-,26-,28-,29-,30-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50321286
PNG
(Alpneumine H | CHEMBL1165844)
Show SMILES COC(=O)[C@@]12COCC[C@H]3[C@@H]1CC[N@+](C)([O-])[C@H]3c1c2[nH]c2ccccc12 |r,TLB:8:9:18.17.4:13.12.11|
Show InChI InChI=1S/C20H24N2O4/c1-22(24)9-7-14-12-8-10-26-11-20(14,19(23)25-2)18-16(17(12)22)13-5-3-4-6-15(13)21-18/h3-6,12,14,17,21H,7-11H2,1-2H3/t12-,14-,17+,20-,22-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase

Bioorg Med Chem 18: 4415-21 (2010)


Article DOI: 10.1016/j.bmc.2010.04.086
BindingDB Entry DOI: 10.7270/Q2ZC831T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50308534
PNG
(CHEMBL590530 | methyl (14E)-19-[(acetyloxy)methyl]...)
Show SMILES COC(=O)[C@]1(COC(C)=O)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r|
Show InChI InChI=1S/C25H30N2O6/c1-6-15-12-27-20-10-17(15)23(22(29)31-5,13-32-14(2)28)24-11-21(27)33-25(20,24)26(3)19-8-7-16(30-4)9-18(19)24/h6-9,17,20-21H,10-13H2,1-5H3/b15-6-/t17-,20-,21-,23-,24-,25-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50201172
PNG
((4aS,5S,7S,8aS)-7-methyl-5-(1-oxy-3,4,5,6-tetrahyd...)
Show SMILES C[C@H]1C[C@@H](CC2=[N+]([O-])CCCC2)[C@@H]2CCCN[C@H]2C1 |c:5|
Show InChI InChI=1S/C16H28N2O/c1-12-9-13(11-14-5-2-3-8-18(14)19)15-6-4-7-17-16(15)10-12/h12-13,15-17H,2-11H2,1H3/t12-,13-,15-,16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte acetylcholinesterase

Bioorg Med Chem 15: 1703-7 (2007)


Article DOI: 10.1016/j.bmc.2006.12.005
BindingDB Entry DOI: 10.7270/Q2X929XP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50308536
PNG
(CHEMBL590772 | methyl (14E)-19-[(benzyloxy)methyl]...)
Show SMILES COC(=O)[C@]1(COCc2ccccc2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r|
Show InChI InChI=1S/C30H34N2O5/c1-5-20-16-32-25-14-22(20)28(27(33)35-4,18-36-17-19-9-7-6-8-10-19)29-15-26(32)37-30(25,29)31(2)24-12-11-21(34-3)13-23(24)29/h5-13,22,25-26H,14-18H2,1-4H3/b20-5-/t22-,25-,26-,28-,29-,30-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50321287
PNG
(Alpneumine A | CHEMBL1164076)
Show SMILES COC(=O)C1[C@@H]2C[C@@H]3[C@@]4(CC[N+]3([O-])C[C@@H]2C(C)=O)C1=Nc1c4cccc1O |r,t:21|
Show InChI InChI=1S/C20H22N2O5/c1-10(23)12-9-22(26)7-6-20-13-4-3-5-14(24)17(13)21-18(20)16(19(25)27-2)11(12)8-15(20)22/h3-5,11-12,15-16,24H,6-9H2,1-2H3/t11?,12-,15-,16?,20+,22?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase

Bioorg Med Chem 18: 4415-21 (2010)


Article DOI: 10.1016/j.bmc.2010.04.086
BindingDB Entry DOI: 10.7270/Q2ZC831T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...

Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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